Transferable hydrogen by 1H nuclear magnetic resonance spectroscopy – Vital structural aspects of petroleum heavier ends (370–660°C) feed stocks

Bansal, V.; Kumar, Ravindra; Krishna, G. J.; Patel, M. B.; Sarpal, A. S.; Basu, Biswajit

doi:10.1016/j.fuel.2013.10.051

Cited by 14 publications

(11 citation statements)

References 20 publications

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“…The changes in the 1 H NMR spectrum after thermal treatment at 150 °C were both in terms of the line shapes in the spectra (Figure ), as well as aliphatic to aromatic hydrogen ratio (Table ). The spectrum of the raw bitumen was poorly resolved, whereas the 1 H NMR spectrum for the thermally treated bitumen resembled that reported for heavy petroleum cuts …”

Section: Resultssupporting

confidence: 62%

“…The spectrum of the raw bitumen was poorly resolved, whereas the 1 H NMR spectrum for the thermally treated bitumen resembled that reported for heavy petroleum cuts. 18 Three common reasons cited for broadening in 1 H NMR spectra as seen in the spectrum of the raw bitumen are excessive viscosity, presence of paramagnetic materials, and extra phases. 19 The presence of paramagnetic species in the form of persistent free radicals is common to both the raw bitumen and thermally treated bitumen.…”

Section: Resultsmentioning

confidence: 99%

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Partial Upgrading of Bitumen by Thermal Conversion at 150–300 °C

Jaramillo

Klerk

2018

Energy Fuels

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Bitumen produced from oilsands deposits has a high viscosity, which presents a challenge to pipeline transport. Ways to reduce the viscosity at low incremental production cost are desirable. Thermal conversion of oilsands-derived bitumen at temperatures in the range of 150–300 °C was explored as a potential strategy for viscosity reduction. Viscosity increased compared to the bitumen feed following thermal treatment of bitumen at 150 and 200 °C but decreased following thermal treatment at 250 and 300 °C. At all temperatures studied, changes in the chemical and physical nature of the product were observed within 1 h of reaction time, and changes continued as reaction time was extended to a period of 8 h. Hydrogen transfer and methyl transfer were important reactions. These transfer reactions appeared to be concerted in nature and did not involve cracking to release free hydrogen or methyl radicals. In fact, thermal cracking was a minor reaction. The olefin content of the liquid was low, there was little gas-make, and the H2S concentration in the gaseous product was low. The n-pentane insoluble (asphaltenes) content of the liquid, with a few exceptions, increased during thermal conversion, but it was poorly correlated to viscosity. It is unlikely that the change in viscosity can be attributed to a single factor. The two most important factors appeared to be (i) the formation of heavier molecules that caused an increase in “excluded volume” with a concomitant increase in viscosity and slight decrease in density and (ii) a change in the phase behavior of the product due to chemical changes in the product.

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Section: Resultssupporting

confidence: 62%

Section: Resultsmentioning

confidence: 99%

Partial Upgrading of Bitumen by Thermal Conversion at 150–300 °C

Jaramillo

Klerk

2018

Energy Fuels

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“…NMR spectroscopic technique has long been used for both qualitative (Gillet et al 1980;Kvalheim et al 1985) and quantitative (Srivastava 1982;Allen 1985;Abu-Dagga and Ruegger 1988;Smirnov et al 1992;Sarpal et al 1998;Bansal et al 2007;Bansal et al 2014;Mirotchnik et al 2001;Young and Galya 1984;Poveda and Molina 2012) studies of petroleum products. The main focus of these studies revolve around understanding the qualitative composition and to quantify average structural parameters such as aromatic and aliphatic content, average chain length for aliphatic moieties, and average number of substituents on the aromatic ring.…”

Section: Introductionmentioning

confidence: 99%

A 1H NMR method for the estimation of hydrogen content for all petroleum products

et al. 2015

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Background: Hydrogen content is an important parameter for all petroleum products, because the performance of the products for specific application depends on the concentration of hydrogen in it. Further, hydrogen content can be used as a measure for quality control during the production process and assess the quality of the products, which is governed by the catalyst used. Therefore, to get the desired petroleum products like MS and HSD, pilot scale evaluation of different catalysts plays an important role in problem solving during troubleshooting in refineries. During evaluation studies the performance of catalyst depends upon the hydrogen consumption and mass balance in any catalytic process. In order to calculate total hydrogen consumption during production of different petroleum products an effort has been made to develop a universal method based on nuclear magnetic resonance (NMR) technique, that allows estimating hydrogen content in all petroleum fractions, ranging from IBP to 530+°C.

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“…The concept of GMWt and subsequent estimation PONA has been well discussed in several of our previous publications. ,,− Assignment of a 1 H NMR spectrum in terms of CH n ( n = 0, 1, 2, and 3) groups is imperative to estimate the relative number of carbon ( T c ) and hydrogen atoms corresponding to, first, the whole of the spectrum providing the GMWt T of the sample and, second, assigning the same corresponding to any particular class, e.g., aromatics and naphthenes providing the relative group molecular weight for those, viz . aromatics (GMWt Ar ), of naphthenes (GMWt N ) classes.…”

Section: Resultsmentioning

confidence: 99%

“…NMR-based group molecular weight (GMWt) methods for PONA estimation for various petroleum fractions were discussed in several of our earlier works, ,,− including straight run (part I) and cracked (part II) gasoline streams. In part I, PNA estimation in straight run gasoline was discussed, whereas part II covers PONA estimation for full range cracked gasoline .…”

Section: Introductionmentioning

confidence: 99%

A Rapid ¹H NMR-Based Estimation of PONA for Light and Narrow Cut Naphtha Samples of Refinery Streams toward BS-VI Gasoline

et al. 2021

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A rapid method based on quantitative 1 H NMR spectroscopy for the accurate estimation of paraffins (P), olefins (O), naphthenes (N), and aromatics (A), i.e., PONA, in extremely light to middle cut naphtha (boiling points ranging from C4/C5 to 130/140 °C and various heart cuts in-between, like C5-60, 60-70, 70-90, 90-140 °C cuts and many more that are being processed for BS-VI gasoline pool) has been developed. The method relies on accurate assignments of various kinds of quaternary-carbons, CHs, CH 2 s, and CH 3 s present in these light samples overwhelmingly populated with low-molecular-weight alkanes-alkenes, isoalkanesisoalkenes, and cycloalkanes-cycloalkenes as the constituents by edited HSQC NMR. Our earlier group molecular weight (GMWt)-based methods for PNA estimation has thus been appropriately modified in terms of assignment of 1 H NMR spectrum to CH n (n = 0, 1, 2, and 3) groups toward estimation of the relative number of carbon and hydrogen atoms, which are imperative to the GMWt-based method, to accommodate all possible variations. The GMWt method coupled with our recently developed multiplication factor-based olefin estimation wholly estimate the PONA for these lightest liquid streams from refineries. The developed method is well suited for monitoring pilot plant processes where high sample throughput and instant results are warranted. The values thus obtained were compared with detailed hydrocarbon analysis (DHA) following ASTM D6730 and by the reformulyzer-based ASTM D6839 method.

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Transferable hydrogen by 1H nuclear magnetic resonance spectroscopy – Vital structural aspects of petroleum heavier ends (370–660°C) feed stocks

Cited by 14 publications

References 20 publications

Partial Upgrading of Bitumen by Thermal Conversion at 150–300 °C

Partial Upgrading of Bitumen by Thermal Conversion at 150–300 °C

A 1H NMR method for the estimation of hydrogen content for all petroleum products

A Rapid ¹H NMR-Based Estimation of PONA for Light and Narrow Cut Naphtha Samples of Refinery Streams toward BS-VI Gasoline

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Transferable hydrogen by 1H nuclear magnetic resonance spectroscopy – Vital structural aspects of petroleum heavier ends (370–660°C) feed stocks

Cited by 14 publications

References 20 publications

Partial Upgrading of Bitumen by Thermal Conversion at 150–300 °C

Partial Upgrading of Bitumen by Thermal Conversion at 150–300 °C

A 1H NMR method for the estimation of hydrogen content for all petroleum products

A Rapid 1H NMR-Based Estimation of PONA for Light and Narrow Cut Naphtha Samples of Refinery Streams toward BS-VI Gasoline

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Product

Resources

About

A Rapid ¹H NMR-Based Estimation of PONA for Light and Narrow Cut Naphtha Samples of Refinery Streams toward BS-VI Gasoline